Atomic-scale modelling was used to calculate the diffusion barriers to Si and C adatoms on Si(100)2x1 reconstructed and Si(111) surfaces. The Tersoff potential was used for the description of interatomic interactions in the Si-C system. Diffusion barriers were studied by means of potential energy surface calculations for Si and C adatoms.

Molecular Dynamics Study of Diffusion Barriers of Si and C Adatoms on Si Surfaces. Kharlamov, V.S., Lubov, M.N., Pezoldt, J., Trushin, Y.V., Zhurkin, E.E.: Proceedings of SPIE, 2005, 5831, 51-5